(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (2-chloro-7-methylsulfanyl-3-quinolyl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-chloro-7-(methylthio)-3-quinolinyl]methyl ester IUPAC Name: (2-chloro-7-methylsulfanylquinolin-3-yl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-chloro-7-(methylthio)-3-quinolyl]methyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC2=C(N=C3C=C(C=CC3=C2)SC)Cl)C

InChI

InChI=1S/C19H17ClN2O3S/c1-11(23)13-7-17(22(2)9-13)19(24)25-10-14-6-12-4-5-15(26-3)8-16(12)21-18(14)20/h4-9H,10H2,1-3H3